bicyclo[1.1.1]diferroxane

• ChemBase ID: 127873
• Molecular Formular: Fe2O3
• Molecular Mass: 159.6882
• Monoisotopic Mass: 159.85461886
• SMILES: O1[Fe]2O[Fe]1O2
• Canonical SMILES: O1[Fe]2O[Fe]1O2
• InChI: InChI=1S/2Fe.3O
• InChIKey: JEIPFZHSYJVQDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[1.1.1]diferroxane
• IUPAC Traditional name: iron(III) oxide
• Synonyms: Ferric oxide; Hematite; ferric iroe; red iron oxide; synthetic maghemite; colcothae; iron sesquioxide; rust; Iron(III) oxide

Database IDs

• CAS Number: 1309-37-1
• PubChem SID: 162222190
• PubChem CID: 24180700; 518696
• CHEBI ID: 50819
• Chemspider ID: 21106565
• Unique Ingredient Identifier: 1K09F3G675
• Wikipedia Title: Iron(III)_oxide

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6136
• LogD (pH = 7.4): 1.6136
• Log P: 1.6136
• Molar Refractivity: 4.0506 cm^3
• Polarizability: 8.976481 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: insoluble in water
• Apperance: red-brown solid
• Melting Point: 1566 °C (1838 K) decomp.
• Flash Point: non-flammable
• Density: 5.242 g/cm^3, solid
• Odor: odorless
• Std enthalpy of formation: -826 kJ·mol^-1
• Std molar entropy: 90 J·mol^-1·K^-1

Safety Information

• RTECS: NO7400000